1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol

C13H17FO2 — CID 161067218

IUPAC1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
SMILESCCCC(O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C13H17FO2/c1-2-3-11(15)13-6-4-9-8-10(14)5-7-12(9)16-13/h5,7-8,11,13,15H,2-4,6H2,1H3
InChIKeyUEEKPMKFCXWWEF-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.68
Rot. Bonds3

About 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol

1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol (PubChem CID 161067218) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
PubChem CID161067218
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
SMILESCCCC(O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C13H17FO2/c1-2-3-11(15)13-6-4-9-8-10(14)5-7-12(9)16-13/h5,7-8,11,13,15H,2-4,6H2,1H3
InChIKeyUEEKPMKFCXWWEF-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol (CID 161067218) is 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol is CCCC(O)C1CCc2cc(F)ccc2O1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
The InChIKey is UEEKPMKFCXWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-3-11(15)13-6-4-9-8-10(14)5-7-12(9)16-13/h5,7-8,11,13,15H,2-4,6H2,1H3.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol is sourced from PubChem (CID 161067218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).